Positions and magnetic moments of all atoms in unit cell, with magnetic moment relations explicitly given:
Magnetic atoms:
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.00000 | 0.00000 | mx,0,mz | 0.00000 | 0.00000 | 4.03000 |
2 | 0.50000 | 0.00000 | 0.75000 | -mx,0,-mz | 0.00000 | 0.00000 | -4.03000 |
(1/2,1/2,1/2) + set click here to show and hide |
3 | 0.50000 | 0.50000 | 0.50000 | mx,0,mz | 0.00000 | 0.00000 | 4.03000 |
4 | 0.00000 | 0.50000 | 0.25000 | -mx,0,-mz | 0.00000 | 0.00000 | -4.03000 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.00000 | 0.00000 | 0.50000 | -mx,0,-mz | 0.00000 | 0.00000 | -4.03000 |
6 | 0.50000 | 0.00000 | 0.25000 | mx,0,mz | 0.00000 | 0.00000 | 4.03000 |
(1/2,1/2,0)' + set click here to show and hide |
7 | 0.50000 | 0.50000 | 0.00000 | -mx,0,-mz | 0.00000 | 0.00000 | -4.03000 |
8 | 0.00000 | 0.50000 | 0.75000 | mx,0,mz | 0.00000 | 0.00000 | 4.03000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Ti1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.00000 |
2 | 0.50000 | 0.00000 | 0.75000 |
(1/2,1/2,1/2) + set click here to show and hide |
3 | 0.50000 | 0.50000 | 0.50000 |
4 | 0.00000 | 0.50000 | 0.25000 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.00000 | 0.00000 | 0.50000 |
6 | 0.50000 | 0.00000 | 0.25000 |
(1/2,1/2,0)' + set click here to show and hide |
7 | 0.50000 | 0.50000 | 0.00000 |
8 | 0.00000 | 0.50000 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom Ti2_1:
Atom | x | y | z |
1 | 0.49590 | 0.00000 | 0.12520 |
2 | 0.00410 | 0.00000 | 0.62480 |
(1/2,1/2,1/2) + set click here to show and hide |
3 | 0.99590 | 0.50000 | 0.62520 |
4 | 0.50410 | 0.50000 | 0.12480 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.49590 | 0.00000 | 0.62520 |
6 | 0.00410 | 0.00000 | 0.12480 |
(1/2,1/2,0)' + set click here to show and hide |
7 | 0.99590 | 0.50000 | 0.12520 |
8 | 0.50410 | 0.50000 | 0.62480 |
Set of atoms in the unit cell related by symmetry with the atom Ti2_2:
Atom | x | y | z |
1 | 0.50410 | 0.00000 | 0.87480 |
2 | 0.99590 | 0.00000 | 0.87520 |
(1/2,1/2,1/2) + set click here to show and hide |
3 | 0.00410 | 0.50000 | 0.37480 |
4 | 0.49590 | 0.50000 | 0.37520 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.50410 | 0.00000 | 0.37480 |
6 | 0.99590 | 0.00000 | 0.37520 |
(1/2,1/2,0)' + set click here to show and hide |
7 | 0.00410 | 0.50000 | 0.87480 |
8 | 0.49590 | 0.50000 | 0.87520 |
Set of atoms in the unit cell related by symmetry with the atom Fe2_1:
Atom | x | y | z |
1 | 0.49590 | 0.00000 | 0.12520 |
2 | 0.00410 | 0.00000 | 0.62480 |
(1/2,1/2,1/2) + set click here to show and hide |
3 | 0.99590 | 0.50000 | 0.62520 |
4 | 0.50410 | 0.50000 | 0.12480 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.49590 | 0.00000 | 0.62520 |
6 | 0.00410 | 0.00000 | 0.12480 |
(1/2,1/2,0)' + set click here to show and hide |
7 | 0.99590 | 0.50000 | 0.12520 |
8 | 0.50410 | 0.50000 | 0.62480 |
Set of atoms in the unit cell related by symmetry with the atom Fe2_2:
Atom | x | y | z |
1 | 0.50410 | 0.00000 | 0.87480 |
2 | 0.99590 | 0.00000 | 0.87520 |
(1/2,1/2,1/2) + set click here to show and hide |
3 | 0.00410 | 0.50000 | 0.37480 |
4 | 0.49590 | 0.50000 | 0.37520 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.50410 | 0.00000 | 0.37480 |
6 | 0.99590 | 0.00000 | 0.37520 |
(1/2,1/2,0)' + set click here to show and hide |
7 | 0.00410 | 0.50000 | 0.87480 |
8 | 0.49590 | 0.50000 | 0.87520 |
Set of atoms in the unit cell related by symmetry with the atom Ti3_1:
Atom | x | y | z |
1 | 0.25000 | 0.25920 | 0.87500 |
2 | 0.25000 | 0.74080 | 0.37500 |
(1/2,1/2,1/2) + set click here to show and hide |
3 | 0.75000 | 0.75920 | 0.37500 |
4 | 0.75000 | 0.24080 | 0.87500 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.25000 | 0.25920 | 0.37500 |
6 | 0.25000 | 0.74080 | 0.87500 |
(1/2,1/2,0)' + set click here to show and hide |
7 | 0.75000 | 0.75920 | 0.87500 |
8 | 0.75000 | 0.24080 | 0.37500 |
Set of atoms in the unit cell related by symmetry with the atom Ti3_2:
Atom | x | y | z |
1 | 0.25000 | 0.75920 | 0.12500 |
2 | 0.25000 | 0.24080 | 0.12500 |
(1/2,1/2,1/2) + set click here to show and hide |
3 | 0.75000 | 0.25920 | 0.62500 |
4 | 0.75000 | 0.74080 | 0.62500 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.25000 | 0.75920 | 0.62500 |
6 | 0.25000 | 0.24080 | 0.62500 |
(1/2,1/2,0)' + set click here to show and hide |
7 | 0.75000 | 0.25920 | 0.12500 |
8 | 0.75000 | 0.74080 | 0.12500 |
Set of atoms in the unit cell related by symmetry with the atom Fe3_1:
Atom | x | y | z |
1 | 0.25000 | 0.25920 | 0.87500 |
2 | 0.25000 | 0.74080 | 0.37500 |
(1/2,1/2,1/2) + set click here to show and hide |
3 | 0.75000 | 0.75920 | 0.37500 |
4 | 0.75000 | 0.24080 | 0.87500 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.25000 | 0.25920 | 0.37500 |
6 | 0.25000 | 0.74080 | 0.87500 |
(1/2,1/2,0)' + set click here to show and hide |
7 | 0.75000 | 0.75920 | 0.87500 |
8 | 0.75000 | 0.24080 | 0.37500 |
Set of atoms in the unit cell related by symmetry with the atom Fe3_2:
Atom | x | y | z |
1 | 0.25000 | 0.75920 | 0.12500 |
2 | 0.25000 | 0.24080 | 0.12500 |
(1/2,1/2,1/2) + set click here to show and hide |
3 | 0.75000 | 0.25920 | 0.62500 |
4 | 0.75000 | 0.74080 | 0.62500 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.25000 | 0.75920 | 0.62500 |
6 | 0.25000 | 0.24080 | 0.62500 |
(1/2,1/2,0)' + set click here to show and hide |
7 | 0.75000 | 0.25920 | 0.12500 |
8 | 0.75000 | 0.74080 | 0.12500 |
Set of atoms in the unit cell related by symmetry with the atom Se1_1:
Atom | x | y | z |
1 | 0.41560 | 0.74660 | 0.18965 |
2 | 0.08440 | 0.74660 | 0.56035 |
3 | 0.08440 | 0.25340 | 0.06035 |
4 | 0.41560 | 0.25340 | 0.68965 |
(1/2,1/2,1/2) + set click here to show and hide |
5 | 0.91560 | 0.24660 | 0.68965 |
6 | 0.58440 | 0.24660 | 0.06035 |
7 | 0.58440 | 0.75340 | 0.56035 |
8 | 0.91560 | 0.75340 | 0.18965 |
(0,0,1/2)' + set click here to show and hide |
9 | 0.41560 | 0.74660 | 0.68965 |
10 | 0.08440 | 0.74660 | 0.06035 |
11 | 0.08440 | 0.25340 | 0.56035 |
12 | 0.41560 | 0.25340 | 0.18965 |
(1/2,1/2,0)' + set click here to show and hide |
13 | 0.91560 | 0.24660 | 0.18965 |
14 | 0.58440 | 0.24660 | 0.56035 |
15 | 0.58440 | 0.75340 | 0.06035 |
16 | 0.91560 | 0.75340 | 0.68965 |
Set of atoms in the unit cell related by symmetry with the atom Se1_2:
Atom | x | y | z |
1 | 0.58440 | 0.74660 | 0.81035 |
2 | 0.91560 | 0.74660 | 0.93965 |
3 | 0.91560 | 0.25340 | 0.43965 |
4 | 0.58440 | 0.25340 | 0.31035 |
(1/2,1/2,1/2) + set click here to show and hide |
5 | 0.08440 | 0.24660 | 0.31035 |
6 | 0.41560 | 0.24660 | 0.43965 |
7 | 0.41560 | 0.75340 | 0.93965 |
8 | 0.08440 | 0.75340 | 0.81035 |
(0,0,1/2)' + set click here to show and hide |
9 | 0.58440 | 0.74660 | 0.31035 |
10 | 0.91560 | 0.74660 | 0.43965 |
11 | 0.91560 | 0.25340 | 0.93965 |
12 | 0.58440 | 0.25340 | 0.81035 |
(1/2,1/2,0)' + set click here to show and hide |
13 | 0.08440 | 0.24660 | 0.81035 |
14 | 0.41560 | 0.24660 | 0.93965 |
15 | 0.41560 | 0.75340 | 0.43965 |
16 | 0.08440 | 0.75340 | 0.31035 |
Set of atoms in the unit cell related by symmetry with the atom Se2_1:
Atom | x | y | z |
1 | 0.33200 | 0.00000 | 0.31230 |
2 | 0.16800 | 0.00000 | 0.43770 |
(1/2,1/2,1/2) + set click here to show and hide |
3 | 0.83200 | 0.50000 | 0.81230 |
4 | 0.66800 | 0.50000 | 0.93770 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.33200 | 0.00000 | 0.81230 |
6 | 0.16800 | 0.00000 | 0.93770 |
(1/2,1/2,0)' + set click here to show and hide |
7 | 0.83200 | 0.50000 | 0.31230 |
8 | 0.66800 | 0.50000 | 0.43770 |
Set of atoms in the unit cell related by symmetry with the atom Se2_2:
Atom | x | y | z |
1 | 0.66800 | 0.00000 | 0.68770 |
2 | 0.83200 | 0.00000 | 0.06230 |
(1/2,1/2,1/2) + set click here to show and hide |
3 | 0.16800 | 0.50000 | 0.18770 |
4 | 0.33200 | 0.50000 | 0.56230 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.66800 | 0.00000 | 0.18770 |
6 | 0.83200 | 0.00000 | 0.56230 |
(1/2,1/2,0)' + set click here to show and hide |
7 | 0.16800 | 0.50000 | 0.68770 |
8 | 0.33200 | 0.50000 | 0.06230 |
Set of atoms in the unit cell related by symmetry with the atom Se3_1:
Atom | x | y | z |
1 | 0.16490 | 0.00000 | 0.19075 |
2 | 0.33510 | 0.00000 | 0.55925 |
(1/2,1/2,1/2) + set click here to show and hide |
3 | 0.66490 | 0.50000 | 0.69075 |
4 | 0.83510 | 0.50000 | 0.05925 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.16490 | 0.00000 | 0.69075 |
6 | 0.33510 | 0.00000 | 0.05925 |
(1/2,1/2,0)' + set click here to show and hide |
7 | 0.66490 | 0.50000 | 0.19075 |
8 | 0.83510 | 0.50000 | 0.55925 |
Set of atoms in the unit cell related by symmetry with the atom Se3_2:
Atom | x | y | z |
1 | 0.83510 | 0.00000 | 0.80925 |
2 | 0.66490 | 0.00000 | 0.94075 |
(1/2,1/2,1/2) + set click here to show and hide |
3 | 0.33510 | 0.50000 | 0.30925 |
4 | 0.16490 | 0.50000 | 0.44075 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.83510 | 0.00000 | 0.30925 |
6 | 0.66490 | 0.00000 | 0.44075 |
(1/2,1/2,0)' + set click here to show and hide |
7 | 0.33510 | 0.50000 | 0.80925 |
8 | 0.16490 | 0.50000 | 0.94075 |
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